2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

C11H15N3O4 — CID 43619103

IUPAC2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-11(2,10(17)18)14-9(16)7-5-13-8(15)6-12-7/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyLPDPDGTWYWPIGC-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.14
Rot. Bonds5

About 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43619103) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
PubChem CID43619103
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-11(2,10(17)18)14-9(16)7-5-13-8(15)6-12-7/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyLPDPDGTWYWPIGC-UHFFFAOYSA-N
XLogP0.14
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 28788663
(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788867
(2S)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788869
(2R)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789250
(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789252
(2S,3S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28790018
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791111
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162945
4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43210965
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211028
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43211126
2-cyclopropyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43341230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (CID 43619103) is 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is LPDPDGTWYWPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-4-11(2,10(17)18)14-9(16)7-5-13-8(15)6-12-7/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43619103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).